SMILES:
Cc1cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)S2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C24H26N2O4S
Molecular weight
438.55
Exact mass
438.1613
XLogP
3.65
TPSA
73.32
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
122.21
Supplementary Information
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